General Information of the Compound
| Compound ID |
CP0306601
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| Compound Name |
1-[4-[2-[3-(dimethylamino)propoxy]-7-(3-hydroxynaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C29H36N6O3
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| Molecular Weight |
516.646
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| Canonical SMILES |
CN(C)CCCOc1nc2CN(CCc2c(n1)N1CCN(CC1)C(=O)C=C)c1cc(O)cc2ccccc12
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| InChI |
InChI=1S/C29H36N6O3/c1-4-27(37)33-13-15-34(16-14-33)28-24-10-12-35(26-19-22(36)18-21-8-5-6-9-23(21)26)20-25(24)30-29(31-28)38-17-7-11-32(2)3/h4-6,8-9,18-19,36H,1,7,10-17,20H2,2-3H3
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| InChIKey |
QPPKEDSKOLGNPO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound